Input interpretation
monomethyl adipate
Chemical names and formulas
formula | HO_2C(CH_2)_4CO_2CH_3 Hill formula | C_7H_12O_4 name | monomethyl adipate IUPAC name | 6-methoxy-6-oxohexanoic acid alternate names | 5-carbomethoxypentanoic acid | 6-keto-6-methoxy-hexanoic acid | 6-methoxy-6-oxo-hexanoic acid | 6-methoxy-6-oxohexanoic acid | adipic acid monomethyl ester | hexanedioic acid, monomethyl ester | methyl adipate | methyl hydrogen adipate mass fractions | C (carbon) 52.5% | H (hydrogen) 7.55% | O (oxygen) 40%
Lewis structure
Draw the Lewis structure of monomethyl adipate. Start by drawing the overall structure of the molecule, ignoring potential double and triple bonds: Count the total valence electrons of the carbon (n_C, val = 4), hydrogen (n_H, val = 1), and oxygen (n_O, val = 6) atoms: 7 n_C, val + 12 n_H, val + 4 n_O, val = 64 Calculate the number of electrons needed to completely fill the valence shells for carbon (n_C, full = 8), hydrogen (n_H, full = 2), and oxygen (n_O, full = 8): 7 n_C, full + 12 n_H, full + 4 n_O, full = 112 Subtracting these two numbers shows that 112 - 64 = 48 bonding electrons are needed. Each bond has two electrons, so in addition to the 22 bonds already present in the diagram add 2 bonds. To minimize formal charge oxygen wants 2 bonds and carbon wants 4 bonds. Identify the atoms that want additional bonds and the number of electrons remaining on each atom: Fill in the 2 bonds by pairing electrons between adjacent highlighted atoms: Answer: | |
3D structure
3D structure
Basic properties
molar mass | 160.17 g/mol phase | liquid (at STP) melting point | 8 °C boiling point | 162 °C (measured at 1333 Pa) density | 1.081 g/cm^3 solubility in water | very soluble
Units
Liquid properties (at STP)
density | 1.081 g/cm^3 vapor pressure | 4×10^-4 mmHg (at 25 °C) dynamic viscosity | 0.00434 Pa s (at 350 °C) refractive index | 1.441
Units
Thermodynamic properties
molar heat of vaporization | 58.4 kJ/mol specific heat of vaporization | 0.365 kJ/g (at STP)
Chemical identifiers
CAS number | 627-91-8 Beilstein number | 1766411 PubChem CID number | 12328 PubChem SID number | 24890682 SMILES identifier | COC(=O)CCCCC(=O)O InChI identifier | InChI=1/C7H12O4/c1-11-7(10)5-3-2-4-6(8)9/h2-5H2, 1H3, (H, 8, 9)/f/h8H MDL number | MFCD00004418
NFPA label
NFPA label
NFPA health rating | 1 NFPA fire rating | 1 NFPA reactivity rating | 0
Safety properties
flash point | 110 °C